Thermal stability and crystal structure of β-Ba3YB3O9 |
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Authors: | X.Z. Li J.K. Jian L. Wu Y.P. Xu Y.G. Cao |
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Affiliation: | Nanoscale Physics & Device Laboratory, Institute of Physics, Condensed matter physics, Chinese Academy of Sciences, P.O. Box 603, Beijing 100080, People's Republic of China |
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Abstract: | A new compound, β-Ba3YB3O9, has been attained through solid phase transition from α-Ba3YB3O9 at high temperatures. Differential thermal analysis (DTA) revealed the phase transition at about 1120°C, the melting temperature at about 1253°C. Its crystal structure has been determined from powder X-ray diffraction data. The refinement was carried out using the Rietveld method and the final refinement converged with Rp=10.5% and Rwp=13.7%. This compound belongs to the hexagonal space group R-3, with lattice parameters a=13.0441(1) Å and c=9.5291(1) Å. There are 6 formulas per unit cell and 7 atoms in the asymmetric unit. The structure of β-Ba3YB3O9 is built up from Ba(Y)O8, BaO6 and YB6O18 units formed by one YO6 octahedron and six BO3 triangles with shared O atoms. |
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Keywords: | β-Ba3YB3O9 Structure determination X-ray powder diffraction |
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